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Substance Name: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-((3-pyridinylcarbonyl)amino)ethyl ester, N-oxide
RN: 58345-12-3
InChIKey: MTGVIJVYTQYYIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Cl-N2-O5

Molecular Weight

  • 378.8101
 
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Names and Synonyms

Synonyms

  • BRN 0453871
  • F 1416
  • N-Nicotinyl-O-(p-chlorophenoxy)isobutanoylethanolamine N-oxide

Systematic Name

  • Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-((3-pyridinylcarbonyl)amino)ethyl ester, N-oxide

Registry Numbers

CAS Registry Number

  • 58345-12-3

System Generated Number

  • 0058345123

Structure Descriptors

InChI

1S/C18H19ClN2O5/c1-18(2,26-15-7-5-14(19)6-8-15)17(23)25-11-9-20-16(22)13-4-3-10-21(24)12-13/h3-8,10,12H,9,11H2,1-2H3,(H,20,22)

InChIKey

MTGVIJVYTQYYIN-UHFFFAOYSA-N

Smiles

CC(C)(C(=O)OCCNC(=O)c1cccn(=O)c1)Oc2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #3987175,
mouse LD50 oral 2400mg/kg (2400mg/kg)   United States Patent Document. Vol. #3987175,